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31232-M

Iron(III) chloride hexahydrate

Name: Iron(III) chloride hexahydrate
Brand: SIAL

puriss. p.a., reag. Ph. Eur., ≥99%

Synonym(s):

Ferric chloride hexahydrate

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About This Item

Linear Formula:

FeCl₃ · 6H₂O

CAS Number:

10025-77-1

Molecular Weight:

270.30

NACRES:

NA.21

PubChem Substance ID:

329753690

UNSPSC Code:

12352302

EC Number:

231-729-4

MDL number:

MFCD00149712

Assay:

≥99%

Form:

solid

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Properties

Quality Level

100

agency

USP/NF, reag. Ph. Eur.

vapor pressure

1 mmHg ( 194 °C)

grade

puriss. p.a.

assay

≥99%

form

solid

impurities

≤0.001% free chlorine (Cl), ≤0.001% total nitrogen (N), ≤0.05% sub.not precip.b.NH₄OH(SO₄), ≤0.2% free acid (as HCl)

bp

280-285 °C (lit.)

mp

37 °C (lit.)

anion traces

phosphate (PO₄^3-): ≤0.002%, sulfate (SO₄^2-): ≤0.005%

cation traces

As: ≤0.0005%, Cu: ≤0.002%, Fe²⁺: ≤0.005%, Pb: ≤0.002%, Zn: ≤0.002%

SMILES string

O.O.O.O.O.O.Cl[Fe](Cl)Cl

InChI

1S/3ClH.Fe.6H2O/h3*1H;;6*1H2/q;;;+3;;;;;;/p-3

InChI key

NQXWGWZJXJUMQB-UHFFFAOYSA-K

Description

General description

Iron(III) chloride hexahydrate can be obtained from crystallization of iron(III) chloride from water. Its crystal structure has been studied using three-dimensional single-crystal X-ray-diffraction data. Its crystals have two chloride ions and four water molecules arranged around each ferric ion to form octahedral trans-[FeCl₂(OH₂)₄]⁺ ions having C_2h-2/m symmetry.

Application

Iron(III) chloride hexahydrate may be employed as an oxidant for the following conversions:

Synthesis of 2-substituted 4(3H)-quinazolinones (yield = 77-93%), via condensation of aldehydes with anthranilamide.
Oxidation of 1,4-dihydropyridines (1,4-DHPs) to corresponding pyridines.
Oxidation of 4-isopropyl-1,4-DHP to dealkylated pyridine.